8-oxo-3,6-dipiperidino-8H-acenaphthyleno[1,2-b]pyrrole-9-carbonitrile | 848134-06-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 8-oxo-3,6-dipiperidino-8H-acenaphthyleno[1,2-b]pyrrole-9-carbonitrile
• 英文别名: 8-Oxo-3,6-di(piperidin-1-yl)acenaphthyleno[1,2-b]pyrrole-9-carbonitrile
• CAS: 848134-06-5
• 化学式: C₂₅H₂₄N₄O
• 分子量: 396.492
• InChiKey: UQAATRINLBUKFM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  30
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  59.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  8-oxo-3,6-dipiperidino-8H-acenaphthyleno[1,2-b]pyrrole-9-carbonitrile 、 正丁胺 以 乙腈 为溶剂， 反应 4.0h， 以70%的产率得到6-(butylamino)-8-oxo-3-piperidino-8H-acenaphthyleno[1,2-b]pyrrole-9-carbonitrile
  参考文献：
  名称：

  Versatile acenaphtho[1,2-b]pyrrol-carbonitriles as a new family of heterocycles: diverse SNArH reactions, cytotoxicity and spectral behavior

  摘要：

  The diverse reactivity of highly electron-deficient 8-oxo-8H-acenaphtho[1,2-b]pyrrol-9-carbonitrile I is attractive for the preparation of derivatives bearing different substituents via SNArH reaction with N, O, S nucleophiles. These derivatives were versatile, possessing potential antitumor activities and displaying tunable fluorescence spectral behavior. (c) 2005 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tet.2005.08.106
• 作为产物：
  描述：

  8-oxo-8H-acenaphtho[1,2-b]pyrrole-9-carbonitrile 、 哌啶 以 乙腈 为溶剂， 反应 24.0h， 以48%的产率得到8-oxo-3,6-dipiperidino-8H-acenaphthyleno[1,2-b]pyrrole-9-carbonitrile
  参考文献：
  名称：

  Versatile acenaphtho[1,2-b]pyrrol-carbonitriles as a new family of heterocycles: diverse SNArH reactions, cytotoxicity and spectral behavior

  摘要：

  The diverse reactivity of highly electron-deficient 8-oxo-8H-acenaphtho[1,2-b]pyrrol-9-carbonitrile I is attractive for the preparation of derivatives bearing different substituents via SNArH reaction with N, O, S nucleophiles. These derivatives were versatile, possessing potential antitumor activities and displaying tunable fluorescence spectral behavior. (c) 2005 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tet.2005.08.106

文献信息

• Versatile acenaphtho[1,2-b]pyrrol-carbonitriles as a new family of heterocycles: diverse SNArH reactions, cytotoxicity and spectral behavior
  作者：Fengyu Liu、Yi Xiao、Xuhong Qian、Zhichao Zhang、Jingnan Cui、Dawei Cui、Rong Zhang

  DOI：10.1016/j.tet.2005.08.106

  日期：2005.11

  The diverse reactivity of highly electron-deficient 8-oxo-8H-acenaphtho[1,2-b]pyrrol-9-carbonitrile I is attractive for the preparation of derivatives bearing different substituents via SNArH reaction with N, O, S nucleophiles. These derivatives were versatile, possessing potential antitumor activities and displaying tunable fluorescence spectral behavior. (c) 2005 Published by Elsevier Ltd.